氯化硫代丁酰胆碱 | 22026-63-7

• 物质功能分类: 化学试剂 - 有机试剂 - 硫醇酯
• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 中文名称: 氯化硫代丁酰胆碱
• 中文别名: 氯化-S-丁酰硫代胆碱
• 英文名称: S-Butyrylthiocholine chloride
• 英文别名: 2-butanoylsulfanylethyl(trimethyl)azanium;chloride
• CAS: 22026-63-7
• 化学式: C9H20ClNOS
• 分子量: 225.78
• InChiKey: QYNZLUZQWOCGCH-UHFFFAOYSA-M

物化性质

• 熔点：
  163-165 C
• 溶解度：
  可溶于氯仿（少许）、甲醇（少许）
• 稳定性/保质期：
  <p><br></p>

计算性质

• 辛醇/水分配系数(LogP)：
  -1.24
• 重原子数：
  13
• 可旋转键数：
  6
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.89
• 拓扑面积：
  42.4
• 氢给体数：
  0
• 氢受体数：
  3

安全信息

• 危险品标志：
  Xi
• 安全说明：
  S26,S36
• 危险类别码：
  R36/37/38
• WGK Germany：
  3

制备方法与用途

制备方法

适用于生化研究、有机合成和制药等领域。

合成制备方法

详细信息暂缺。

用途简介

内容暂缺。

用途

主要用于生化研究、有机合成以及制药。

文献信息

• Derivatives of 4-aminoantipyrine as anti-Alzheimers butyrylcholinesterase inhibitors
  申请人：Siddiqui Hina

  公开号：US20210363108A1

  公开（公告）日：2021-11-25

  One embodiment of the invention relates to the treatment of diseases associated with increased butyrylcholinesterase (BuChE) enzyme activity such Alzheimer's Disease (AD), involving administering an effective amount of a compound selected from a group of new N, N′-disubstituted benzylamine derivatives (1-8) of 4-aminoantipyrine (ampyrone). The kinetic studies of two potent compounds 4-(Bis(4-iodobenzyl) amino)-1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one (5) (IC 50 =2.43±0.4 and Ki=5.67±0.5 μM) and 4-(Bis(2-bromobenzyl) amino)-1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one (6) (IC 50 =0.7±0.2 and Ki=2.4±0.4 μM), revealed them as a competitive and a non-competitive inhibitor of BuChE, respectively. Galantamine Hydrobromide was used as standard inhibitor with IC 50 =40.83±0.4 and Ki=21.5±0.7 μM (Mixed type Inhibitor). The metabolite of aminophenazone, 4-aminoantipyrine (A) is also being reported here as an inhibitor of BuChE for the first time.

  该发明的一个实施例涉及治疗与增加的丁酰胆碱酯酶（BuChE）酶活性相关的疾病，如阿尔茨海默病（AD），涉及向患者施用从新的N，N'－二取代苄胺衍生物（1-8）组中选择的化合物的有效量，这些化合物是4-氨基安替比林（安比林）的衍生物。两种有效化合物4-（双（4-碘苯基）氨基）-1,5-二甲基-2-苯基-1,2-二氢-3H-吡唑-3-酮（5）（IC50=2.43±0.4和Ki=5.67±0.5 μM）和4-（双（2-溴苯基）氨基）-1,5-二甲基-2-苯基-1,2-二氢-3H-吡唑-3-酮（6）（IC50=0.7±0.2和Ki=2.4±0.4 μM）的动力学研究显示，它们分别是BuChE的竞争性和非竞争性抑制剂。盐酸加兰他敏被用作标准抑制剂，IC50=40.83±0.4和Ki=21.5±0.7 μM（混合型抑制剂）。4-氨基苯胺酮的代谢物4-氨基安替比林（A）也首次被报道为BuChE的抑制剂。
• 1,2,3,3a,8,8a-Hexahydro-1,3a,8-trimethylpyrrolo[2,3-b]indoles, a process for their preparation and their use as medicaments
  申请人：HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED

  公开号：EP0253372A2

  公开（公告）日：1988-01-20

  There are described compounds of the formula where (a) X is O or S; (b) R is H, loweralkyl, where Y is O or S; R2 is loweralkyl, cycloalkyl; bicycloalkyl, cycloalkenyl, aryl, arylloweralkyl, heteroaryl or heteroarylloweralkyl, R3 is H or lower alkyl or the group -NR2R3 taken as a whole is 1-pyrrolidinyl, 1-piperidinyl, 4-morpholinyl, 4-thiomorpholinyl, 1-piperazinyl, 4-methyl-1-piperazinyl or 2-(2,6-dichlorophenyl- imino)-1-imidazolidinyl) and R4 is hydrogen, loweralkyl, arylloweralkyl, diarylloweralkyl, aryl or heteroaryl, (c) m is 1 or 2; (d) each Z is independently H, loweralkyl, halogen, nitro, -NH2, loweralkylcarbonylamino, arylcarbonylamino, loweralkoxycarbonylamino or loweralkylamino, and (e) R1 is H, loweralkyl, arylloweralkyl, heteroarylloweralkyl, cycloalkylmethyl or loweralkenylmethyl, with the proviso that when X is O, m is 1, Z is Hand R1 is methyl, R is not -CONHCH3, -CONHC6H5, hydrogen, methyl or ethyl, and that when X is O, m is 1 and Z and R1 are both hydrogen, R is not hydrogen or methyl, and pharmaceutically acceptable acid addition salts thereof which are useful as memory-enhancing and analgesic agents.

  所述化合物的化学式为 式中 (a) X 是 O 或 S； (b) R 是 H、低级烷基、 其中 Y 是 O 或 S；R2 是低级烷基、环烷基、双环烷基、环烯基、芳基、芳基低级烷基；(b) R 是 H、低级烷基，其中 Y 是 O 或 S；R2 是低级烷基、环烷基、双环烷基、环烯基、芳基、芳低级烷基、杂芳基或杂芳基低级烷基；R3 是 H 或低级烷基，或整个基团 -NR2R3 是 1-吡咯烷基、1-哌啶基、4-吗啉基、4-硫代吗啉基、1-吡咯烷基、1-哌啶基、4-吗啉基4-硫代吗啉基、1-哌嗪基、4-甲基-1-哌嗪基或 2-(2,6-二氯苯基-亚氨基)-1-咪唑烷基），R4 是氢、低级烷基、芳低级烷基、二芳低级烷基、芳基或杂芳基、 (c) m 是 1 或 2； (d) 每个 Z 独立地为 H、低级烷基、卤素、硝基、-NH2、低级烷基羰基氨基、芳基羰基氨基、低级烷氧基羰基氨基或低级烷基氨基，以及 (e) R1 是 H、低级烷基、芳基低级烷基、杂芳基低级烷基、环烷基甲基或低级烯基甲基、 但条件是当 X 为 O、m 为 1、Z 为手 R1 为甲基时，R 不是-CONHCH3、-CONHC6H5、氢、甲基或乙基；当 X 为 O、m 为 1 且 Z 和 R1 均为氢时，R 不是氢或甲基；以及其药学上可接受的酸加成盐，可用作增强记忆和镇痛剂。
• Assay for serum cholinesterase acitivity
  申请人：Johnson & Johnson Clinical Diagnostics, Inc.

  公开号：EP0533283A1

  公开（公告）日：1993-03-24

  A dry analytical element for the determination of serum cholinesterase (CHE) activity is disclosed. The element analyses undiluted body fluids and employs butyrylthiocholine as the substrate for CHE. Butyrylthiocholine is hydrolyzed by serum cholinesterase and liberates butyric acid and thiocholine. The thiocholine liberated then reduces ferricyanide to ferrocyanide and the rate of change is measured by reflectance densitometry.

  本发明公开了一种用于测定血清胆碱酯酶（CHE）活性的干式分析元件。该分析元件可分析未稀释的体液，并采用丁酰硫代胆碱作为 CHE 的底物。丁酰硫代胆碱被血清胆碱酯酶水解后会释放出丁酸和硫代胆碱。释放出的硫代胆碱可将铁氰化物还原为铁氰化物，变化率可通过反射密度计测量。
• PREVENTIVE/REMEDY FOR URINARY DISTURBANCE
  申请人：Takeda Pharmaceutical Company Limited

  公开号：EP1640021A1

  公开（公告）日：2006-03-29

  It is intended to provide a preventive/remedy for urinary disturbance containing a compound, which shows an acetylcholine esterase inhibitory activity but substantially has no butyrylcholine esterase inhibitory activity, showing no side effect and being safe and efficacious without inhibiting the urine collection function; a preventive/remedy for dry mouth induced by the administration of a remedy for urinary disturbance and a preventive or remedy for hyperactive bladder not accompanied by dry mouth; and a method of screening a substance preventing/treating urinary disturbance without inhibiting the urine collection function characterized by comprising measuring and comparing the acetylcholine esterase inhibitory activity and the butyrylcholine esterase inhibitory activity of a test compound.

  本发明旨在提供一种预防/治疗排尿障碍的药物，其中含有一种化合物，该化合物具有乙酰胆碱酯酶抑制活性，但基本上不具有丁酰胆碱酯酶抑制活性，且无副作用，安全有效，不会抑制尿液收集功能；一种预防/治疗因服用治疗排尿障碍的药物而引起的口干的药物，以及一种预防或治疗不伴有口干的膀胱过度活动症的药物；以及一种筛选预防/治疗排尿障碍而不抑制尿液收集功能的物质的方法，其特征在于包括测量和比较试验化合物的乙酰胆碱酯酶抑制活性和丁酰胆碱酯酶抑制活性。
• COMPOSITIONS CONTAINING PTEROSIN COMPOUND AND DERIVATIVES THEREOF ACTIVE INGREDIENTS FOR PREVENTION OR TREATMENT OF DEGENERATIVE BRAIN DISEASES
  申请人：Korpharm Co., Ltd.

  公开号：EP3639817A1

  公开（公告）日：2020-04-22

  The present invention relates to compositions containing a pterosin compound and derivatives thereof as active ingredients for the prevention or treatment of degenerative brain diseases and, more specifically, to a pharmaceutical composition for the prevention or treatment of degenerative brain diseases and a food composition for the prevention or alleviation of degenerative brain diseases, each of which contains a pterosin compound defined by chemical formula 1 or a derivative thereof as an active ingredient. A method of the present invention can be favorably used to provide a therapeutic agent for preventing or treating degenerative brain diseases, a food for alleviating degenerative brain diseases, or a functional food for the promotion of cognitive functions, by using a pterosin compound extracted from Pteridium aquilinum and derivatives thereof.

  本发明涉及含有蝶呤化合物及其衍生物作为活性成分用于预防或治疗退行性脑疾病的组合物，更具体地说，涉及一种用于预防或治疗退行性脑疾病的药物组合物和一种用于预防或缓解退行性脑疾病的食品组合物，其中每种组合物都含有由化学式1定义的蝶呤化合物或其衍生物作为活性成分。本发明的方法可通过使用从水黄檀中提取的蝶呤化合物及其衍生物，提供预防或治疗退行性脑疾病的治疗剂、缓解退行性脑疾病的食品或促进认知功能的功能性食品。